Parameter-Free Equation-of-State Calculations for MgO and ZrO2

The electronic band structure of ZrO₂ is calculated for the fluorite structure using the self-consistent augmented-plane-wave method in the muffin-tin approximation. The crystal charge density is then site decomposed by fitting Slater orbitals to the wave functions in the muffin tins. The resultant charge densities for Zr⁴⁺ and O²⁻ are then used in the Gordon-Kim method to derive pair potentials, from which a number of structural, elastic, and thermodynamic properties are calculated and compared with experimental results and similar calculations for MgO.     

Factors affecting cloud point analysis of palm oleins

Some of the factors affecting cloud point determination of palm oleins are described. These are the type of container used, method of stirring, rate of stirring and bath temperature. The repeatability and reproducibility standard deviations of the method are determined from collaborative trials. Recommendations for the test are made to reduce the large variations among laboratories.     

Stability studies on methyl and ethyl fatty acid esters of sunflowerseed oil

Fatty acid esters, high in linoleic acid, were prepared and stored for long-term engine tests. Storage tests with these esters were undertaken to obtain more information on optimal storage requirements and general stability characteristics. Samples were kept at three temperature levels (20 C, 30 C and fluctuating around 50 C) for a 90-day period and were removed at regular intervals for chemical and physical analysis. The influence of air, temperature, light, TBHQ and contact with mild steel was evaluated by comparing the free fatty acid, peroxide, anisidine, ultraviolet absorption, viscosity and induction periods. A statistical model was used to evaluate the data and to reduce the large number of data points to comparable curves. Storage of esters in contact with air, especially at a temperature above 30 C, resulted in significant increases in peroxide, ultraviolet absorption, free fatty acid, viscosity and anisidine values. Exclusion of air retarded oxidation at all temperature levels. A direct relationship between viscosity increases and oxidation parameters was evident. Exposure to light caused a small increase in the oxidation parameters of esters stored at the highest temperature level. Addition of TBHQ prevented oxidation of samples stored under moderate conditions. Under unfavorable storage conditions the anti-oxidant was no longer effective. Mild steel had very little effect on the oxidation parameters. Only the anisidine values of samples stored at the highest temperature level were slightly increased. Methyl esters performed slightly better than ethyl esters during the storage test. The following practical guidelines for storage of fatty acid ester fuels are: (i) airtight containers should be used; (ii) the storage temperature should be <30 C; (iii) mild steel (rust free) containers may be used, and (iv) TBHQ has a beneficial effect on oxidation stability.     

Performance of combined cobalt—nickel—zirconia and HZSM-5 catalyst systems for carbon monoxide hydrogenation

The synthesis of hydrocarbons via hydrogenation of carbon monoxide was investigated over cobalt—nickel—zirconia catalysts of various compositions in combination with zeolite HZSM-5 in “mixed bed” and “follow bed” arrangements. These combinations resulted in the formation of aromatics in amounts as high as 30-35 wt% under relatively mild operating conditions (1 atm, 250–280°C). Although the olefinicity of C₂ and C₃ fractions in the product stream was higher in the mixed bed compared to the follow bed arrangement, the selectivities to aromatics were comparable in the two bed arrangements. The aromatic selectivity was found to be sensitive to operating conditions. The formation of aromatics was favored at high HZSM-5/metal catalyst ratios, low space velocities and high reaction temperatures. The product distributions obtained using various metal/zeolite bifunctional catalysts have been discussed.     

Purification of Ellagic Acid by UF Membranes

Ellagic acid (2, 3, 7, 8‐tetrahydroxy(1)benzopyrano(5, 4, 3‐cde)(1)benzopyran‐5, 10‐dione) was selected as a model pollutant which is present in the tannic fraction of cork processing wastewater. The ultrafiltration of aqueous ellagic acid solutions through three membranes was studied in tangential UF laboratory equipment. Two of the membranes were polyethersulfone (Biomax10K and Biomax5K, with MWCO of 10000 and 5000 Da, respectively), and the third made of regenerated cellulose (Ultracel5K, with MWCO of 5000 Da). The water hydraulic permeability was evaluated for each membrane. The evolution of the permeate flow rate with processing time was followed, and the influence of the main operating variables (feed flow rate, trans‐membrane pressure and nature of the membranes) on the permeate flux was also established. According to the hypothesis of the film theory, the intrinsic and apparent rejection coefficients, as well as the mass transfer coefficients, were also determined, and the values obtained were discussed as a function of the operating conditions used.     

A case study of regional catchment water quality modelling to identify pollution control requirements.

There are four ecologically important river catchments that contain candidate Special Areas of Conservation (cSACs) under the Habitats Directive in the Lake District National Park located in the North of England. These are the rivers Ehen, Kent, Derwent and Eden. For each cSAC, there are defined ecological criteria that include water quality targets to protect the designated species. Stretches of the riverine cSACs in each catchment are failing to meet these and other water quality targets. The Environment Agency commissioned a study of each catchment to provide the underpinning scientific knowledge to allow it to deliver its statutory obligations under the Habitats Directive. SIMCAT river water quality models were produced and used to predict the water quality impacts resulting from a number of water quality planning scenarios aimed at achieving full compliance with the Habitats Directive and other national and EEC water quality targets. The results indicated that further controls on effluent discharges will allow the majority of targets to be met but other sources of pollution will also need to be controlled. The outcome of the study also recognised that water quality improvements alone will not necessarily produce the required improvement to the ecological interest features in each cSAC.